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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-677624
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['H', 'N', 'O', 'P']
  • Chemical System: H-N-O-P
  • Density: 2.0195817124435744
  • Atomic Density: 0.12045415073238229
  • Unit Cell Volume: 697.3607757745608
  • Molar Volume: 4.999529466925242
  • Full Formula: P8 H40 N8 O28
  • Reduced Formula: P2H10N2O7
  • Formula Anonymous: A2B2C7D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m